3-methyl-8-(3-methylbutylsulfanyl)-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-pentyl-purine-2,6-dione Openeye Name: 8-isopentylsulfanyl-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-(3-methylbutylthio)-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(isoamylthio)-3-methyl-xanthine Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H26N4O2S/c1-5-6-7-9-20-12-13(19(4)15(22)18-14(12)21)17-16(20)23-10-8-11(2)3/h11H,5-10H2,1-4H3,(H,18,21,22)